[gmx-users] are TPR files compatible across minor version changes?

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 6 02:56:12 CEST 2011

Peter C. Lai wrote:
> Are TPR files compatible across minor gromacs version changes?
> Like if I have a TPR generated under 4.5.3 can I feed it into mdrun on 4.5.4
> or should I re-grompp my initial files?

Minor versions shouldn't present a problem.  According to src/gmxlib/tpxio.c, 
the .tpr version hasn't incremented between 4.5.3 and 4.5.4 and generally, 
Gromacs programs are backwards-compatible.  But since it just takes a few 
seconds to run grompp to be sure, I don't see why you wouldn't.


> Thanks


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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